COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.758   0.421  -0.586  1.00  0.00           C  
HETATM    2  C   UNL     1       6.097   0.539   0.791  1.00  0.00           C  
HETATM    3  C   UNL     1       4.672  -0.014   0.713  1.00  0.00           C  
HETATM    4  C   UNL     1       5.277  -1.535  -1.041  1.00  0.00           C  
HETATM    5  C   UNL     1       6.726  -1.043  -1.033  1.00  0.00           C  
HETATM    6  C   UNL     1       5.242  -2.993  -1.422  1.00  0.00           C  
HETATM    7  C   UNL     1       3.789   1.433   2.443  1.00  0.00           C  
HETATM    8  C   UNL     1       2.756   2.048   1.495  1.00  0.00           C  
HETATM    9  C   UNL     1       1.784  -0.140   1.136  1.00  0.00           C  
HETATM   10  C   UNL     1       2.817  -0.754   2.083  1.00  0.00           C  
HETATM   11  C   UNL     1       0.537   1.818   0.742  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.674   1.841  -0.182  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.734   1.221   0.630  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.954  -0.021   0.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.956   1.126  -0.215  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.129   1.465  -0.932  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.216   0.658  -0.837  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.497   0.927  -1.581  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.551   2.382  -2.045  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.245   2.705  -2.781  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.106   2.718  -1.764  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.149  -0.481  -0.025  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.963  -2.657  -0.418  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.227  -3.516  -0.335  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.999  -2.234   1.535  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.742  -1.362   1.471  1.00  0.00           C  
HETATM   27  N   UNL     1       4.051   0.044   2.043  1.00  0.00           N  
HETATM   28  N   UNL     1       1.522   1.250   1.536  1.00  0.00           N  
HETATM   29  N   UNL     1       0.769   2.936   0.065  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.137   3.468  -0.672  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.312   2.976  -0.811  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.053  -0.780   0.641  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.259  -1.308   0.084  1.00  0.00           N  
HETATM   34  O   UNL     1       8.113   0.867  -0.505  1.00  0.00           O  
HETATM   35  O   UNL     1       6.056   1.913   1.185  1.00  0.00           O  
HETATM   36  O   UNL     1       4.712  -1.369   0.264  1.00  0.00           O  
HETATM   37  O   UNL     1       7.275  -1.154  -2.348  1.00  0.00           O  
HETATM   38  O   UNL     1       4.865  -3.817  -0.624  1.00  0.00           O  
HETATM   39  O   UNL     1       5.631  -3.375  -2.649  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.699  -3.532   1.015  1.00  0.00           O  
HETATM   41  S   UNL     1      -1.395  -0.231   1.355  1.00  0.00           S  
HETATM   42  H   UNL     1       6.215   1.034  -1.305  1.00  0.00           H  
HETATM   43  H   UNL     1       6.671  -0.032   1.521  1.00  0.00           H  
HETATM   44  H   UNL     1       4.088   0.584   0.013  1.00  0.00           H  
HETATM   45  H   UNL     1       4.700  -0.957  -1.763  1.00  0.00           H  
HETATM   46  H   UNL     1       7.313  -1.648  -0.342  1.00  0.00           H  
HETATM   47  H   UNL     1       4.714   2.007   2.393  1.00  0.00           H  
HETATM   48  H   UNL     1       3.404   1.452   3.463  1.00  0.00           H  
HETATM   49  H   UNL     1       2.539   3.069   1.808  1.00  0.00           H  
HETATM   50  H   UNL     1       3.152   2.055   0.480  1.00  0.00           H  
HETATM   51  H   UNL     1       2.170  -0.158   0.116  1.00  0.00           H  
HETATM   52  H   UNL     1       0.859  -0.713   1.185  1.00  0.00           H  
HETATM   53  H   UNL     1       2.421  -0.760   3.099  1.00  0.00           H  
HETATM   54  H   UNL     1       3.034  -1.776   1.771  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.554   0.270  -2.450  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.344   0.728  -0.924  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.396   2.520  -2.720  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.657   3.038  -1.181  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.051   1.943  -3.536  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.324   3.682  -3.257  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.216   3.583  -1.110  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.154   2.786  -2.290  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.177  -3.107   0.190  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.631  -2.596  -1.454  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.995  -3.096  -0.984  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.998  -4.534  -0.652  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.327  -2.323   2.570  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.790  -1.776   0.941  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.980  -0.355   1.814  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.969  -1.790   2.110  1.00  0.00           H  
HETATM   71  H   UNL     1       8.594   0.817  -1.343  1.00  0.00           H  
HETATM   72  H   UNL     1       6.926   2.329   1.250  1.00  0.00           H  
HETATM   73  H   UNL     1       7.282  -2.056  -2.697  1.00  0.00           H  
HETATM   74  H   UNL     1       5.592  -4.320  -2.847  1.00  0.00           H  
CONECT    1    5    2   34   42                                       
CONECT    2    3    1   35   43                                       
CONECT    3   36   27    2   44                                       
CONECT    4    6   36    5   45                                       
CONECT    5    4   37    1   46                                       
CONECT    6   38   38   39    4                                       
CONECT    7    8   27   47   48                                       
CONECT    8   28    7   49   50                                       
CONECT    9   28   10   51   52                                       
CONECT   10    9   27   53   54                                       
CONECT   11   13   13   29   28                                       
CONECT   12   15   31   31   13                                       
CONECT   13   12   41   11   11                                       
CONECT   14   32   32   15   41                                       
CONECT   15   16   16   14   12                                       
CONECT   16   17   21   15   15                                       
CONECT   17   18   22   22   16                                       
CONECT   18   19   17   55   56                                       
CONECT   19   18   20   57   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   20   16   61   62                                       
CONECT   22   33   17   17   32                                       
CONECT   23   24   33   63   64                                       
CONECT   24   40   23   65   66                                       
CONECT   25   40   26   67   68                                       
CONECT   26   25   33   69   70                                       
CONECT   27    7   10    3                                            
CONECT   28   11    8    9                                            
CONECT   29   30   30   11                                            
CONECT   30   31   29   29                                            
CONECT   31   12   12   30                                            
CONECT   32   22   14   14                                            
CONECT   33   23   26   22                                            
CONECT   34    1   71                                                 
CONECT   35    2   72                                                 
CONECT   36    4    3                                                 
CONECT   37    5   73                                                 
CONECT   38    6    6                                                 
CONECT   39    6   74                                                 
CONECT   40   24   25                                                 
CONECT   41   14   13                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
